[4-methoxy-2-[1-(4-methoxyphenyl)ethyl]-1,3-dihydroisoindol-1-yl]methanamine

C19H24N2O2 — CID 110449570

IUPAC[4-methoxy-2-[1-(4-methoxyphenyl)ethyl]-1,3-dihydroisoindol-1-yl]methanamine
SMILESCOc1ccc(C(C)N2Cc3c(OC)cccc3C2CN)cc1
InChIInChI=1S/C19H24N2O2/c1-13(14-7-9-15(22-2)10-8-14)21-12-17-16(18(21)11-20)5-4-6-19(17)23-3/h4-10,13,18H,11-12,20H2,1-3H3
InChIKeyDRKVQVDQDJBNRV-UHFFFAOYSA-N
MW312.41 g/mol
LogP3.28
Rot. Bonds5

About [4-methoxy-2-[1-(4-methoxyphenyl)ethyl]-1,3-dihydroisoindol-1-yl]methanamine

[4-methoxy-2-[1-(4-methoxyphenyl)ethyl]-1,3-dihydroisoindol-1-yl]methanamine (PubChem CID 110449570) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is [4-methoxy-2-[1-(4-methoxyphenyl)ethyl]-1,3-dihydroisoindol-1-yl]methanamine.

Molecular Properties

Compound Name[4-methoxy-2-[1-(4-methoxyphenyl)ethyl]-1,3-dihydroisoindol-1-yl]methanamine
PubChem CID110449570
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Name[4-methoxy-2-[1-(4-methoxyphenyl)ethyl]-1,3-dihydroisoindol-1-yl]methanamine
SMILESCOc1ccc(C(C)N2Cc3c(OC)cccc3C2CN)cc1
InChIInChI=1S/C19H24N2O2/c1-13(14-7-9-15(22-2)10-8-14)21-12-17-16(18(21)11-20)5-4-6-19(17)23-3/h4-10,13,18H,11-12,20H2,1-3H3
InChIKeyDRKVQVDQDJBNRV-UHFFFAOYSA-N
XLogP3.28
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-methoxy-2-[1-(4-methoxyphenyl)ethyl]-1,3-dihydroisoindol-1-yl]methanamine?
The IUPAC name of [4-methoxy-2-[1-(4-methoxyphenyl)ethyl]-1,3-dihydroisoindol-1-yl]methanamine (CID 110449570) is [4-methoxy-2-[1-(4-methoxyphenyl)ethyl]-1,3-dihydroisoindol-1-yl]methanamine.
What is the SMILES notation for [4-methoxy-2-[1-(4-methoxyphenyl)ethyl]-1,3-dihydroisoindol-1-yl]methanamine?
The canonical SMILES for [4-methoxy-2-[1-(4-methoxyphenyl)ethyl]-1,3-dihydroisoindol-1-yl]methanamine is COc1ccc(C(C)N2Cc3c(OC)cccc3C2CN)cc1.
What is the InChIKey of [4-methoxy-2-[1-(4-methoxyphenyl)ethyl]-1,3-dihydroisoindol-1-yl]methanamine?
The InChIKey is DRKVQVDQDJBNRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-13(14-7-9-15(22-2)10-8-14)21-12-17-16(18(21)11-20)5-4-6-19(17)23-3/h4-10,13,18H,11-12,20H2,1-3H3.
What are the key properties of [4-methoxy-2-[1-(4-methoxyphenyl)ethyl]-1,3-dihydroisoindol-1-yl]methanamine?
[4-methoxy-2-[1-(4-methoxyphenyl)ethyl]-1,3-dihydroisoindol-1-yl]methanamine has a molecular weight of 312.41 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methoxy-2-[1-(4-methoxyphenyl)ethyl]-1,3-dihydroisoindol-1-yl]methanamine is sourced from PubChem (CID 110449570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).